Publications
- T. Juncker von Buchwald, E. R. Kjellgren, K. M. Ziems, S. P. A. Sauer, J. Kongsted, S. Coriani:
Reduced density matrix formulation of quantum linear response,
arXiv:2404.16586 (uploaded)
- D. Nagy, P. Reinholdt, P. W. K. Jensen, E. R. Kjellgren, K. M. Ziems, A. Fitzpatrick, S. Knecht, J. Kongsted, S. Coriani, S. P. A. Sauer:
Electric Field Gradient Calculations for Ice VIII and IX using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators,
arXiv:2404.14531 (uploaded)
- P. Reinholdt, E. R. Kjellgren, J. H. Fuglsbjerg, K. M. Ziems, S. Coriani, S. P. A. Sauer, J. Kongsted:
Subspace methods for the simulation of molecular response properties on a quantum computer,
J. Chem. Theory Comput. (online)
- P. W. K. Jensen, E. R. Kjellgren, P. Reinholdt, K. M. Ziems, S. Coriani, J. Kongsted, S. P. A. Sauer:
Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing,
J. Chem. Theory Comput. (online)
- K. M. Ziems, E. R. Kjellgren, P. Reinholdt, P. W. K. Jensen, S. P. A. Sauer, J. Kongsted, S. Coriani:
Which options exist for NISQ-friendly linear response formulations?,
J. Chem. Theory Comput. (online)
- E. R. Kjellgren, P. Reinholdt, A. Fitzpatrick, W. N. Talarico, P. W. K. Jensen, S. P. A. Sauer, S. Coriani, S. Knecht, J. Kongsted:
The variational quantum eigensolver self-consistent field method within a polarizable embedded framework,
J. Chem. Phys. 160, 124114 (2024)